Sets the total memory available to Q-Chem
User-defined number of megabytes
The minimum memory requirement of RI-CIS(D) is approximately
MEM_STATIC + max
(: number of excited states, : number of auxiliary basis
functions, : size of a double precision storage, usually 8). However, because
RI-CIS(D) uses a batching scheme for efficient evaluations of electron
repulsion integrals, specifying more memory will significantly speed up the
calculation. Put as much memory as possible if you are not sure
what to use, but never put any more than what is available.
The minimum memory requirement of SOS-CIS(D) and SOS-CIS(D) is approximately
MEM_STATIC + . SOS-CIS(D) gradient calculation
becomes more efficient when more memory space is given.
Like in RI-CIS(D), put as much memory as possible if you are not sure what to use.
The actual memory size used in these calculations will be printed out in the output file
to give a guide about the required memory.